N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

C19H25N3O — CID 23723467

IUPACN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N3O/c1-13(23)21-17-6-5-7-18-16(17)12-20-22(18)15-10-8-14(9-11-15)19(2,3)4/h8-12,17H,5-7H2,1-4H3,(H,21,23)
InChIKeyIJGQCFHLBGFRHI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.68
Rot. Bonds2

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide (PubChem CID 23723467) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
PubChem CID23723467
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N3O/c1-13(23)21-17-6-5-7-18-16(17)12-20-22(18)15-10-8-14(9-11-15)19(2,3)4/h8-12,17H,5-7H2,1-4H3,(H,21,23)
InChIKeyIJGQCFHLBGFRHI-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide (CID 23723467) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide is CC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The InChIKey is IJGQCFHLBGFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(23)21-17-6-5-7-18-16(17)12-20-22(18)15-10-8-14(9-11-15)19(2,3)4/h8-12,17H,5-7H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide is sourced from PubChem (CID 23723467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).